Atomoxetine-d3, Hydrochloride , CAS No.1217776-38-9

CAS: 1217776-38-9 Cat. No.: A379559 Peso molecular: 294.83

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Atomoxetine-d3, Hydrochloride is a labeled analogue of Tomoxetine. Tomoxetine (Atomoxetine, LY 139603; sc-204349) is a competitve and specific inhibitor of norepinephrine reuptake while demonstrating weak serotonin and dopamine inhibition as studied in synaptosomes of rat hypothalamus. Additional studies indicate that this (-) optical isomer is more effective than the (+) isomer, LY139602 (ent S-(+)-Atomoxetine Hydrochloride; sc-211408). Additionally, in the prefrontal cortex of rats, Tomoxetine was reported to not cause an increase in dopamine within the striatum or nucleus accumbens which may be useful in additional research studies investigating the reward pathways of the brain.
Atomoxetine-d3, Hydrochlorideis a deuterium-labeled analog of Tomoxetine

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
• IUPAC Name: (3R)-3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
• InChIKey: LUCXVPAZUDVVBT-NZDFJUHXSA-N
• INCHI: 1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1/i2D3
• Isómeros SMILES: [2H]C([2H])([2H])NCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2C.Cl
• Peso molecular: 294.83
• Reaxy-Rn: 6691924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6691924&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Aralkylamines Alkyl aryl ethers Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Chloroform and Methanol
• Peso molecular: 294.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 294.158 Da
• Monoisotopic Mass: 294.158 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3